4-[2-[1,6-bis(oxidanyl)-6-oxidanylidene-hexyl]phenyl]benzoic acid

Systemtic Name: 4-[2-[1,6-bis(oxidanyl)-6-oxidanylidene-hexyl]phenyl]benzoic acid Openeye Name: 4-[2-(1,6-dihydroxy-6-oxo-hexyl)phenyl]benzoic acid CAS Name: 4-[2-(1,6-dihydroxy-6-oxohexyl)phenyl]benzoic acid IUPAC Name: 4-[2-(1,6-dihydroxy-6-oxohexyl)phenyl]benzoic acid Traditional Name: 4-[2-(1,6-dihydroxy-6-keto-hexyl)phenyl]benzoic acid Formula: C19H20O5 MolecularWeight: 328.3591

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C(CCCCC(=O)O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C(=O)O)C(CCCCC(=O)O)O

InChI

InChI=1S/C19H20O5/c20-17(7-3-4-8-18(21)22)16-6-2-1-5-15(16)13-9-11-14(12-10-13)19(23)24/h1-2,5-6,9-12,17,20H,3-4,7-8H2,(H,21,22)(H,23,24)